Oct 21, 2019   5:17 p.m. Uršuľa
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Course syllabus N421K1_4I - Quantum Chemistry (FCFT - SS 2018/2019)


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University: Slovak University of Technology in Bratislava
Faculty: Faculty of Chemical and Food Technology
Course unit title: Quantum Chemistry
Course unit code: N421K1_4I
Mode of completion and Number of ECTS credits: Exam (3 credits)
 
Name of lecturer: doc. Ing. Lukáš Bučinský, PhD. (examiner, instructor, lecturer, person responsible for course) - slovak
 
Learning outcomes of the course unit:
To inform students about basic terms and methods of quantum chemistry of molecular systems.
 
Prerequisites and co-requisites: none
 
Course contents:
Molecular Hamiltonian.
Approximative methods of solving Schrödinger equation.
Many-electron wave function.
Independent particle model.
Expansion methods.
Semiempirical and ab initio methods.
Basis functions.
Correlation energy.
Many-body perturbation theory.
Coupled cluster method.
Density functional theory.
 
Recommended or required reading:
Basic:
BOČA, R. -- BISKUPIČ, S. Kvantová teória chemickej väzby a chemickej štruktúry. Bratislava: Nakladateľstvo STU, 2011. 341 p. ISBN 978-80-227-3505-6.
ATKINS, P. Fyzikálna chémia. Bratislava: Slovenská technická univerzita v Bratislave, 1999. 334 p.
ATKINS, P W. Physical Chemistry. Oxford : Oxford University Press, 1994. 1031 p. ISBN 0-19-855730-2.
ATKINS, P W. -- TRAPP, C A. Solutions Manual for Physical Chemistry. Oxford : Oxford University Press, 1994. 715 p. ISBN 0-19-855732-9.
ATKINS, P W. -- GOSS, D. Solutions Manual to Accompany the Elements of Physical Chemistry. Oxford : Oxford University Press, 1997. 183 p.
ATKINS, P W. Student's solutions manual for Physical Chemistry. Bratislava : STU v Bratislave FCHPT, 2002. 429 p. ISBN 80-227-1724-X.

 
Planned learning activities and teaching methods: seminars, lectures
 
Assesment methods and criteria: credit, exam
 
Language of instruction: Slovak, English
 
Work placement(s): There is no compulsory work placement in the course unit.


Last modification made by Ing. Tomáš Molnár on 06/11/2018.

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